8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one

C23H14ClF4N3O3 — CID 152922083

IUPAC8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
SMILESO=C(Cc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F
InChIInChI=1S/C23H14ClF4N3O3/c24-17-4-1-12(8-16(17)23(26,27)28)7-14(32)9-13-2-3-15(10-18(13)25)34-19-5-6-29-22-21(19)30-11-20(33)31-22/h1-6,8,10-11H,7,9H2,(H,29,31,33)
InChIKeyUJHDPEAWAWYVHG-UHFFFAOYSA-N
MW491.83 g/mol
LogP5.28
Rot. Bonds6

About 8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one

8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 152922083) has the molecular formula C23H14ClF4N3O3 and a molecular weight of 491.83 g/mol. Its IUPAC name is 8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID152922083
Molecular FormulaC23H14ClF4N3O3
Molecular Weight491.83 g/mol
Exact Mass491.07
IUPAC Name8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
SMILESO=C(Cc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F
InChIInChI=1S/C23H14ClF4N3O3/c24-17-4-1-12(8-16(17)23(26,27)28)7-14(32)9-13-2-3-15(10-18(13)25)34-19-5-6-29-22-21(19)30-11-20(33)31-22/h1-6,8,10-11H,7,9H2,(H,29,31,33)
InChIKeyUJHDPEAWAWYVHG-UHFFFAOYSA-N
XLogP5.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.83
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate
CID 147706697
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one
CID 147338407
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[3-(methylamino)-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]propan-2-one
CID 148966679
4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutanoic acid
CID 158527066
8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
CID 155586197
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[3-methoxy-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]propan-2-one;4-[[3-methoxy-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline
CID 159331613
N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 147855444
7-[4-[3-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 147015106
ethane;N-methylacetamide;8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one
CID 91379636
4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 58674628
1-[4-(6-amino-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)propan-2-one
CID 58272950
4-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 68784559

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (CID 152922083) is 8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is O=C(Cc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F.
What is the InChIKey of 8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is UJHDPEAWAWYVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF4N3O3/c24-17-4-1-12(8-16(17)23(26,27)28)7-14(32)9-13-2-3-15(10-18(13)25)34-19-5-6-29-22-21(19)30-11-20(33)31-22/h1-6,8,10-11H,7,9H2,(H,29,31,33).
What are the key properties of 8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 491.83 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 152922083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).